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Structural, Mechanical, Anisotropic, and Thermal Properties of AlAs in oC12 and hP6 Phases under Pressure

The structural, mechanical, anisotropic, and thermal properties of oC12-AlAs and hP6-AlAs under pressure have been investigated by employing first-principles calculations based on density functional theory. The elastic constants, bulk modulus, shear modulus, Young’s modulus, B/G ratio, and Poisson’s...

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Detalhes bibliográficos
Publicado no:Materials (Basel)
Main Authors: Zhang, Wei, Chai, Changchun, Song, Yanxing, Fan, Qingyang, Yang, Yintang
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5978117/
https://ncbi.nlm.nih.gov/pubmed/29735901
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma11050740
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